%chk=000135911.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135911

0 1
 O    1.823300      0.6815000      -2.326900    
 O   -2.926300     -2.9000000E-03   1.719200    
 O   -4.090900      -1.711800      -1.195200    
 O   -5.702300      -2.974800     -0.2175000    
 N  -0.4911000       1.181500     -0.6238000    
 N   -4.608700      0.4458000      0.1833000    
 C   -1.222200       1.734800      0.3948000    
 C   0.7952000       1.142800     -0.2357000    
 C   -2.683900       1.929000      0.3028000    
 C  -0.3547000       2.036000       1.421500    
 C   0.9435000       1.650300       1.005400    
 C    1.877300      0.6053000      -1.087900    
 C   -1.030300      0.7261000      -1.887900    
 C    3.054900     -1.7300000E-02 -0.5043000    
 C   -3.408600      0.6948000      0.8287000    
 C    2.959900     -0.6784000      0.7201000    
 C    4.279400      4.6700001E-02  -1.169300    
 C    5.314000      -1.212000      0.6147000    
 C    4.089500      -1.275700       1.279600    
 C    5.409000     -0.5508000     -0.6099000    
 C   -5.440200     -0.6920000      0.4999000    
 C    6.521900      -1.850100       1.213500    
 C   -5.108600      -1.908800     -0.3251000    
 H   -2.989400       2.769900      0.9378000    
 H   -3.007800       2.179100     -0.7123000    
 H  -0.6243000       2.488500       2.365900    
 H    1.853800       1.772600       1.575600    
 H  -0.8732000       1.512700      -2.629800    
 H  -0.5253000     -0.1970000      -2.183400    
 H   -2.093200      0.4987000      -1.796300    
 H    2.017500     -0.7919000       1.247700    
 H    4.377400      0.5615000      -2.121500    
 H   -4.918200       1.069600     -0.5562000    
 H    4.000700      -1.798200       2.228600    
 H    6.357400     -0.4946000      -1.137800    
 H   -6.474800     -0.4031000      0.2952000    
 H   -5.320700     -0.9448000       1.557600    
 H    7.433800      -1.313700      0.9299000    
 H    6.472200      -1.840700       2.307700    
 H    6.605400      -2.887600      0.8749000    
 H   -3.893600      -2.517600      -1.718700    


%chk=000135911-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135911

0 1
O 1.570073 0.012717 -2.188248
O -3.357942 -0.016817 1.877534
O -4.610060 -1.313264 -1.859890
O -6.369667 -2.559339 -0.986393
N -0.579467 0.918514 -0.403571
N -4.702224 0.561988 0.070375
C -1.235812 1.673951 0.564711
C 0.790780 0.827306 -0.064713
C -2.712751 1.956927 0.532058
C -0.288424 2.082453 1.526588
C 0.971492 1.552757 1.141737
C 1.793630 0.206365 -0.938949
C -1.224817 0.293444 -1.573696
C 3.120917 -0.191104 -0.355116
C -3.594215 0.740463 0.894316
C 3.284170 -0.620883 0.988641
C 4.250179 -0.211180 -1.216753
C 5.682566 -1.043575 0.604813
C 4.547403 -1.041637 1.455769
C 5.509884 -0.618937 -0.740813
C -5.595280 -0.575361 0.244967
C 7.034237 -1.519841 1.105223
C -5.590852 -1.589718 -0.896080
H -2.917167 2.733696 1.291111
H -3.021409 2.375530 -0.446615
H -0.509507 2.686691 2.404771
H 1.926786 1.708961 1.637942
H -1.150668 0.948315 -2.459260
H -0.709480 -0.644793 -1.820393
H -2.281272 0.075644 -1.349370
H 2.418051 -0.658154 1.657233
H 4.111278 0.096009 -2.258685
H -4.809526 1.148132 -0.758074
H 4.652691 -1.381717 2.493206
H 6.373745 -0.612669 -1.416813
H -6.645014 -0.263686 0.400515
H -5.270976 -1.095738 1.167524
H 7.862252 -0.985978 0.606291
H 7.138254 -1.374975 2.194737
H 7.172364 -2.599922 0.902144
H -4.636424 -2.017175 -2.563874


